SCHEMBL9970218

SCHEMBL9970218

COc1ccc(-c2ccc(C)s2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.42
▸ ERN1 O75460 1/20 0.38
▸ HSD17B2 P37059 5/20 0.38
▸ HSD17B1 P14061 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ GRM7 Q14831 1/20 0.38
▸ GHSR Q92847 2/20 0.37
▸ TNFRSF1A P19438 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ STS P08842 1/20 0.34
▸ CYP2E1 P05181 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20067758 0.85 ALDH1A1 (0.41) ALDH1A1MEN1MPIKMT2AHPGD
SCHEMBL27402687 0.83 MAPK1 (0.41) HSD17B2HSD17B1CYP1A2ALDH1A1MEN1
SCHEMBL27404620 0.82 MAPK1 (0.43) HSD17B2HSD17B1ALDH1A1MEN1MPI
SCHEMBL27402690 0.80 PDE5A (0.39) HSD17B2HSD17B1ALDH1A1MEN1MPI
SCHEMBL23346051 0.79 APP (0.42) APPHSD17B2HSD17B1CYP1A2GRM8
SCHEMBL10030801 0.79 CYP1A2 (0.40) APPHSD17B2HSD17B1CYP1A2GRM8
SCHEMBL9970223 0.79 APP (0.49) APPCYP1A2CYP2C9ALDH1A1CYP2E1
SCHEMBL27404621 0.79 PDE5A (0.40) ALDH1A1MEN1MPIKMT2AHPGD
SCHEMBL27402779 0.79 AAK1 (0.36) APPHSD17B2HSD17B1ALDH1A1MEN1
SCHEMBL9970217 0.78 ESR2 (0.39) HSD17B2HSD17B1ALDH1A1MEN1MPI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 — — US disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 — — EP disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 — — US disclosed
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